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Ethyl chrysanthemumate <trans->
SpectraBase Compound ID 7SmQa2p3dD6
InChI InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3/t9-,10+/m1/s1
InChIKey VIMXTGUGWLAOFZ-ZJUUUORDSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE0c8upXr3F
Name trans-Ethyl chrysanthemumate
Alternate Name(s) Ethyl chrysanthemumate
CAS Registry Number 41641-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3/t9-,10+/m1/s1
InChIKey VIMXTGUGWLAOFZ-ZJUUUORDSA-N
Molecular Weight 196.290 g/mol
SMILES C(C)OC([C@@]1([C@](C1(C)C)(C=C(C)C)[H])[H])=O
SPLASH splash10-00ec-9500000000-84fd8019fa669cb0e836
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886301